NYC 9/11 Public Portal Document
Library Search Compound Report
Data File : C:\MSDCHEM\l\5973N\02JAN22\31674.D Vial: 2
Acq On : 22 Jan 2002 3:30 pm Operator:
Sample : 508 scan Inst : Instrumen
Mise : January 22, 2002 Multiplr: 1.00
MS Integration Params: LSCINT.P
Quant Method : C:\MSDCHEM\1...\SCAN508.M (RTE Integrator)
Title : 508 scan method
Library : C:\DATABASE\WILEY7N.L
*********************************************************************
Peak Number 2 Butanoic acid, 1-methylocty... Concentration Rank 8
R.T. EstConc Area Relative to ISTD R.T.
5.01 0.13 ug/L 55083 1,4-Dichlorobenzene-d4 9.71
Hit# of 5 Tentative ID MW MolForm CAS# Qual
1 Butanoic acid, 1-methyloctyl ester 214 C13H2602 069727-42-0 50
2 Trifluoroacetic acid, 4-methylpe... 198 C8H13F3O2 000000-00-0 42
3 Butanal, 4-[(tetrahydro-2H-pyran... 172 C9H16O3 054911-85-2 40
4 Trans-3-methylpent-3-ene-5-ol 100 C6H120 030801-95-7 38
Abundance Scan 143 (5.006 min): 31674.D (-) m/z 43.10 100.00%
43
71
5000
59
85
j.. MaaaAua A
4.60 4.80 5.00 5.20 5.40
207
T-jT-r- mdmmpmmmpmmmp m/z 71.10 74.94%
n/z—> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance #136224: Butanoic acid, 1-methyloctyl ester
71
5000- ~■ i ■ ■ ■ ■ i ■ ■ ■ ‘ i ■ ■ ■ ■ i • ■ '"'"I 1 1'
4.60 4.80 5.00 5.20 5.40
m/z 41.10 65.24%
42 T । 11198.....1
mrno fr
89 115 126
mkpmmmmmmmmmmmmmmp
/z—> 20 30 40 50 60 70 80 90 100110120130140150160170180190200210
Abundance #111531: Trifluoroacetic acid, 4-methylpentyl ester
43 71
A fy
55
4.60 4.80 5.00 5.20 5.40
5000 m/z 69.10 36.31%
84
mm mn | । | TJThp I 99
■ntz-> 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
Abundance #76109: Butanal, 4-[(tetrahydro-2H-pyran-2-yl)oxy]- ■ i ■ ■ ■ 1 1 ■ ■ ■ i 1 1 I ‘ ‘ ‘ I ' ‘
71 4.60 4.80 5.00 5.20 5.40
m/z 59.10 29.69%
85
5000
27
42 56
101
11" I"1' I ■"i"
...... ...... .1......... ...............................................
* i ‘1 • • I T’2’1E8T9123111003033u0—ETB—2030——1T—9—3E3010—00TTCB—"——3B-ETE"ST ‘ ‘ I ‘ ' I ‘ ‘
n/z—> 20 30 40 50 60 70 80 90 100110120130140150160170180190200210 4.60 4.80 ‘ 5.00 5.20 5.40
31674.D SCAN508.M Thu Jan 24 14:00:11 2002 Page 4
NYC-WTC_000050283
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